4-phenylmethoxyoxane

C12H16O2 — CID 66554133

IUPAC4-phenylmethoxyoxane
SMILESc1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C12H16O2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12H,6-10H2
InChIKeyGXFJIMLHHUKQJI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds3

About 4-phenylmethoxyoxane

4-phenylmethoxyoxane (PubChem CID 66554133) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-phenylmethoxyoxane.

Molecular Properties

Compound Name4-phenylmethoxyoxane
PubChem CID66554133
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-phenylmethoxyoxane
SMILESc1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C12H16O2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12H,6-10H2
InChIKeyGXFJIMLHHUKQJI-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 168763654
CID 168763654
azane;cyclopentyloxymethylbenzene
CID 69411306
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 105344934
4-(oxan-4-yloxymethyl)benzonitrile
CID 55139138
2,4-bis(phenylmethoxy)oxane
CID 123735835
2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325
[3-(oxan-4-yloxymethyl)phenyl]boronic acid
CID 53211417
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
1-oxido-4-phenylmethoxypiperidin-1-ium
CID 6374335
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
2-phenylmethoxyoxetane
CID 23030739
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxyoxane?
The IUPAC name of 4-phenylmethoxyoxane (CID 66554133) is 4-phenylmethoxyoxane.
What is the SMILES notation for 4-phenylmethoxyoxane?
The canonical SMILES for 4-phenylmethoxyoxane is c1ccc(COC2CCOCC2)cc1.
What is the InChIKey of 4-phenylmethoxyoxane?
The InChIKey is GXFJIMLHHUKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12H,6-10H2.
What are the key properties of 4-phenylmethoxyoxane?
4-phenylmethoxyoxane has a molecular weight of 192.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxyoxane is sourced from PubChem (CID 66554133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).